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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2026	/Dimer Structures - Conformational Study/5MCC (1a) 5MCC (1a) - Center of cluster 1	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1031.56728025; Eh
	13-May-2026	/6MCCs/CF₃ (2aj-2al)/CF₃_Napht (2ak) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1889.01983565; Eh
	13-May-2026	/7MCCs/7MCC_KetoMe (3f) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1398.58667570; Eh
	13-May-2026	/5MCCs/5MCC_C=C (1d) ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1546.55124395; Eh
	13-May-2026	/5MCCs/5MCC_C=C (1d) ts1conc	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1166.07256782; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_Cyclohexane_OTMS (2ae) a2_ts2prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-3219.75881111; Eh
	13-May-2026	/6MCCs/Bicyclic_Carbonates (2ac-2ai)/Bicyc_DiMethyl_OTMS (2ag) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1885.95241162; Eh
	13-May-2026	/6MCCs/Substituent_nature (2q-2ab, 2am)/6MCC_Amine (2r) Polymer (2r)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1378.11578075; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_TriMethyl (2i) a2_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1285.26206660; Eh
	13-May-2026	/6MCCs/Substituent_number (2a-2p)/6MCC_DiMethyl (2g) a1_ts1rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-1245.93394607; Eh

Results 7731-7740 of 103542 (Search time: 0.007 seconds).